N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide

C18H24N8O — CID 119072160

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
SMILESCn1c(CNC(=O)N2CCN(CCn3cncn3)CC2)nc2ccccc21
InChIInChI=1S/C18H24N8O/c1-23-16-5-3-2-4-15(16)22-17(23)12-20-18(27)25-9-6-24(7-10-25)8-11-26-14-19-13-21-26/h2-5,13-14H,6-12H2,1H3,(H,20,27)
InChIKeyWTNVRHFCVBOFMY-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.69
Rot. Bonds5

About N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide

N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 119072160) has the molecular formula C18H24N8O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID119072160
Molecular FormulaC18H24N8O
Molecular Weight368.44 g/mol
Exact Mass368.21
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
SMILESCn1c(CNC(=O)N2CCN(CCn3cncn3)CC2)nc2ccccc21
InChIInChI=1S/C18H24N8O/c1-23-16-5-3-2-4-15(16)22-17(23)12-20-18(27)25-9-6-24(7-10-25)8-11-26-14-19-13-21-26/h2-5,13-14H,6-12H2,1H3,(H,20,27)
InChIKeyWTNVRHFCVBOFMY-UHFFFAOYSA-N
XLogP0.69
TPSA84.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide with MolForge

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Related Compounds

2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 70724671
2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 118771504
4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
CID 119064849
(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 125145269
N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 651770
3-[(2S)-1-oxo-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-2-yl]-1,3-benzoxazol-2-one
CID 124752478
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 96581047
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
CID 166195946

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide (CID 119072160) is N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide is Cn1c(CNC(=O)N2CCN(CCn3cncn3)CC2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is WTNVRHFCVBOFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-23-16-5-3-2-4-15(16)22-17(23)12-20-18(27)25-9-6-24(7-10-25)8-11-26-14-19-13-21-26/h2-5,13-14H,6-12H2,1H3,(H,20,27).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 119072160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).